SCHEMBL8891764

SCHEMBL8891764

C=C(C)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4808691 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL308290 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL27425940 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7355501 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL234454 0.85 LMNA (0.62) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL19007845 0.83 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL16945695 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7306620 0.83 LMNA (0.57) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL11388818 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL136250 0.82 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2LMNANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994382-B2 Oxygen-absorbing medical multilayer container and method for storing biological medicine MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-06-12 US disclosed
US-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 US disclosed
US-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-07-30 US disclosed
WO-1997014685-A1 PYRIMIDINE DERIVATIVES GYÓGYSZERKUTATÓ INTÉZET KFT (HU) 1997-04-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, SGPL1 ALDH1A1 2473/4885SMN1; SMN2 381/4885LMNA 1747/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.